SCHEMBL10018550

SCHEMBL10018550

CC(C)(C)c1cc(C(=O)O)c2cc(Cl)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.60
▸ ALDH1A1 P00352 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ PTGES O14684 1/20 0.58
▸ ALOX5 P09917 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ PLA2G2A P14555 1/20 0.45
▸ FABP3 P05413 1/20 0.44
▸ FABP4 P15090 1/20 0.44
▸ EIF4A1 P60842 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ F7 P08709 1/20 0.43
▸ F3 P13726 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL16832709 0.85 PTGES (0.58) DHODHALDH1A1HSD17B10PTGESALOX5
SCHEMBL26627263 0.83 ESR1 (0.48) DHODHALDH1A1HSD17B10PTGESALOX5
SCHEMBL25735933 0.82 RXFP1 (0.56) DHODHALDH1A1HSD17B10HPGDKMT2A
SCHEMBL30717931 0.80 DHODH (0.65) DHODHALDH1A1HSD17B10PTGESALOX5
SCHEMBL24840868 0.80 DHODH (0.65) DHODHALDH1A1HSD17B10PTGESALOX5
SCHEMBL13343301 0.80 KDM4E (0.57) DHODHKMT2AKDM4ESMN1; SMN2POLB
SCHEMBL22468804 0.79 ALDH1A1 (0.67) DHODHALDH1A1HSD17B10PTGESALOX5
SCHEMBL7399715 0.78 ALDH1A1 (0.65) DHODHALDH1A1HSD17B10PTGESALOX5
SCHEMBL11668861 0.78 ALDH1A1 (0.65) DHODHALDH1A1HSD17B10PTGESALOX5
SCHEMBL30120641 0.78 ALDH1A1 (0.65) DHODHALDH1A1HSD17B10PTGESALOX5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 — — US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 — — US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 — — US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 — — US disclosed
US-20120178749-A1 NS1 PROTEIN INHIBITORS ROTH MICHAEL (US) 2012-07-12 — — US disclosed
US-20120178749-A1 NS1 PROTEIN INHIBITORS ROTH MICHAEL (US) 2012-07-12 — — US disclosed
US-8119656-B2 Inhibitors of the influenza virus non-structural 1 protein THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-21 — — US disclosed
US-20090170840-A1 NS1 protein inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 — — 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 (4 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-20090170840-A1 NS1 protein inhibitors MAVS, SERPINB1, SPINT2 DHODH 3304/4885ALDH1A1 3348/4885HSD17B10 4301/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS DHODH 539/4885ALDH1A1 1238/4885HSD17B10 527/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 DHODH 3608/4885ALDH1A1 2221/4885HSD17B10 3033/4885
US-20120178749-A1 NS1 PROTEIN INHIBITORS MAVS, SERPINB1, SPINT2 DHODH 3304/4885ALDH1A1 3348/4885HSD17B10 4301/4885

“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.

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