SCHEMBL2881064

SCHEMBL2881064

O=C(O)C1CCCCN1S(=O)(=O)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
POLB P06746 2/20 0.59
RAB9A P51151 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
MMP8 P22894 1/20 0.56
MMP12 P39900 1/20 0.56
MMP13 P45452 1/20 0.56
UBE2N P61088 1/20 0.55
HTT P42858 2/20 0.53
HPGD P15428 1/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL3719656 0.96 POLB (0.61) ALDH1A1POLBRAB9ATDP1MMP8
SCHEMBL7226660 0.92 POLB (0.62) ALDH1A1POLBRAB9ATDP1MMP8
SCHEMBL7226664 0.92 POLB (0.62) ALDH1A1POLBRAB9ATDP1MMP8
SCHEMBL12995467 0.81 POLB (0.53) ALDH1A1POLBRAB9AUBE2N
SCHEMBL1381814 0.81 POLB (0.53) ALDH1A1POLBRAB9AUBE2NHTT
SCHEMBL2977278 0.78 ALDH1A1 (0.72) ALDH1A1RAB9AHTT
SCHEMBL1385016 0.78 ALDH1A1 (0.72) ALDH1A1RAB9AHTT
SCHEMBL6971945 0.76 POLB (0.50) ALDH1A1POLBRAB9ATDP1
SCHEMBL23838661 0.75 UBE2N (0.57) RAB9ATDP1UBE2NNPC1
SCHEMBL22633392 0.75 TDP1 (0.68) ALDH1A1POLBRAB9ATDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017491-A1 COMPOUND INHIBITING YAP-TEAD BINDING, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING COMPOUND AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-20 US disclosed
US-7731949-B2 2010-06-08 US disclosed
CN-101668528-A Compounds and methods for treatment of hcv XTL BIOPHARMACEUTICALS LTD 2010-03-10 CN disclosed
EP-2076264-A2 COMPOUNDS AND METHODS FOR TREATMENT OF HCV XTL Biopharmaceuticals LTD (US) 2009-07-08 EP disclosed
US-20090041723-A1 Compounds and methods for treatment of HCV XTL BIOPHARMACEUTICALS LTD. (IL) 2009-02-12 US disclosed
WO-2008048589-A2 COMPOUNDS AND METHODS FOR TREATMENT OF HCV XTL BIOPHARMACEUTICALS LTD (US) 2008-04-24 WO 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-20220017491-A1 COMPOUND INHIBITING YAP-TEAD BINDING, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING COMPOUND AS ACTIVE INGREDIENT YAP1, TEAD2, TEAD1 ALDH1A1 2937/4885POLB 4108/4885RAB9A 643/4885
US-20090041723-A1 Compounds and methods for treatment of HCV HAVCR2, EIF2AK2, MAVS ALDH1A1 1835/4885POLB 486/4885RAB9A 2441/4885

“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.