SCHEMBL1376733

SCHEMBL1376733

Nc1ccc(S(=O)(=O)c2ccc(N)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 5/20 0.52
HTR6 P50406 3/20 0.52
PKM P14618 2/20 0.52
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
CASP6 P55212 1/20 0.46
TSHR P16473 3/20 0.45
NT5E P21589 1/20 0.45
CDC25B P30305 1/20 0.44
SUMO2 P61956 1/20 0.43
SUMO1 P63165 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP2 Q9HC62 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL7551133 0.98 GAA (0.52) GAAMAPTALDH1A1HTR6PKM
Trimethylammonium SCHEMBL7551091 0.93 GAA (0.47) GAAMAPTALDH1A1HTR6PKM
Ammonia Solution, Strong SCHEMBL7550643 0.91 ALDH1A1 (0.62) GAAMAPTALDH1A1HTR6PKM
SCHEMBL142003 0.89 ALDH1A1 (0.59) GAAMAPTALDH1A1PKMHSD17B10
SCHEMBL153646 0.89 ALDH1A1 (0.59) GAAMAPTALDH1A1PKMHSD17B10
SCHEMBL7064778 0.88 ALDH1A1 (0.57) GAAMAPTALDH1A1PKMHSD17B10
SCHEMBL142001 0.88 ALDH1A1 (0.57) GAAMAPTALDH1A1PKMHSD17B10
Hydrochloric Acid SCHEMBL28203178 0.88 ALDH1A1 (0.57) GAAMAPTALDH1A1PKMHSD17B10
SCHEMBL10390202 0.87 LMNA (0.50) GAAMAPTALDH1A1HSD17B10CYP2C9
Trimethylammonium SCHEMBL7555533 0.87 ALDH1A1 (0.57) GAAMAPTALDH1A1HTR6PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023168-B1 FIBER-REINFORCED PHTHALONITRILE COMPOSITE CURED WITH LOW-REACTIVITY AROMATIC AMINE CURING AGENT US GOV SEC NAVY (US) 2004-11-24 EP claimed
EP-1023168-A4 FIBER-REINFORCED PHTHALONITRILE COMPOSITE CURED WITH LOW-REACTIVITY AROMATIC AMINE CURING AGENT US NAVY (US) 2000-12-20 EP claimed
EP-1023168-A1 FIBER-REINFORCED PHTHALONITRILE COMPOSITE CURED WITH LOW-REACTIVITY AROMATIC AMINE CURING AGENT THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE NAVY (US) 2000-08-02 EP claimed
US-6001926-A Fiber-reinforced phthalonitrile composite cured with low-reactivity aromatic amine curing agent THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1999-12-14 US claimed
WO-1999017928-A1 FIBER-REINFORCED PHTHALONITRILE COMPOSITE CURED WITH LOW-REACTIVITY AROMATIC AMINE CURING AGENT THE GOVERNMENT OF THE UNITED STATES, REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1999-04-15 WO claimed
US-20230023657-A1 Phthalonitrile Resins, Methods Of Making Same And Compositions Thereof HUNTSMAN ADVANCED MATERIALS AMERICAS LLC 2023-01-26 US disclosed
US-20220403108-A1 Curable Compositions Of Benzoxazine And Phthalonitrile Resins HUNTSMAN ADVANCED MATERIALS AMERICAS LLC 2022-12-22 US disclosed
WO-2021087193-A1 PHTHALONITRILE RESINS, METHODS OF MAKING SAME AND COMPOSITIONS THEREOF HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2021-05-06 WO disclosed
US-8530607-B2 Aromatic ether and alkynyl containing phthalonitriles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-09-10 US disclosed
US-20110288254-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-11-24 US disclosed
US-20110263775-A1 PHOSPHINE OXIDE CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-10-27 US disclosed
US-8039576-B2 Aromatic ether and alkynyl containing phthalonitriles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-10-18 US disclosed
US-4055543-A Chain-extending Schiff base terminated polyimides and method of preparation ALELIO GAETANO FRANCIS D 1977-10-25 US disclosed
US-4026871-A Chain-extending phenolic end-capped polyimides UNIVERSITY OF NOTRE DAME (US) 1977-05-31 US disclosed
US-4026833-A CROSSLINKED FOAMS UNIVERSITY OF NOTRE DAME (US) 1977-05-31 US disclosed
US-4026904-A Aromatic epoxy-terminated polyimides UNIVERSITY OF NOTRE DAME (US) 1977-05-31 US disclosed
US-3998786-A USEFUL FOR PREPARING COATINGS UNIVERSITY OF NOTRE DAME DU LAC (US) 1976-12-21 US disclosed
US-3996196-A Polyimide-metallo-phthalocyanines and their preparation UNIVERSITY OF NOTRE DAME DU LAC (US) 1976-12-07 US disclosed
US-3987003-A THERMALLY STABLE DIOXO AND DITHIO-BENZISOQUINOLINE COMPOSITIONS AND PROCESS OF SYNTHESIZING SAME THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1976-10-19 US disclosed
US-3960980-A Method of producing elastomer resins BRIDGESTONE TIRE COMPANY LIMITED (JA) 1976-06-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230023657-A1 Phthalonitrile Resins, Methods Of Making Same And Compositions Thereof PNN, PAH, CUL4B GAA 3210/4885MAPT 220/4885ALDH1A1 2253/4885
US-20110288254-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES PNN, BECN1, ACIN1 GAA 3875/4885MAPT 54/4885ALDH1A1 1956/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.