SCHEMBL21647732

SCHEMBL21647732

O=C(O)CCCc1ccccc1OCCCCc1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 2/20 0.56
HTR6 P50406 6/20 0.55
FABP4 P15090 1/20 0.49
LTB4R Q15722 3/20 0.48
LTB4R2 Q9NPC1 2/20 0.48
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
PTGES O14684 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
SQSTM1 Q13501 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
WDR5 P61964 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
SCHEMBL31548955 1.00 FABP1 (0.56) FABP1HTR6FABP4LTB4RLTB4R2
SCHEMBL31549014 0.95 HTR6 (0.56) FABP1HTR6FABP4LTB4RLTB4R2
SCHEMBL21647681 0.95 HTR6 (0.56) FABP1HTR6FABP4LTB4RLTB4R2
SCHEMBL21669425 0.94 FABP1 (0.56) FABP1HTR6FABP4LTB4RLTB4R2
SCHEMBL31548996 0.90 HTR6 (0.57) FABP1HTR6FABP4LTB4RHDAC1
SCHEMBL21647706 0.90 HTR6 (0.57) FABP1HTR6FABP4LTB4RHDAC1
SCHEMBL31548985 0.87 FABP1 (0.67) FABP1HTR6FABP4HDAC1HDAC8
SCHEMBL21647848 0.87 FABP1 (0.67) FABP1HTR6FABP4HDAC1HDAC8
SCHEMBL21647823 0.86 HTR6 (0.50) FABP1HTR6FABP4LTB4RLTB4R2
SCHEMBL31549008 0.86 HTR6 (0.50) FABP1HTR6FABP4LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089532-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-03-24 US disclosed
US-11261154-B2 Benzene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2022-03-01 US disclosed
US-20210332009-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 US disclosed
EP-3831810-A1 BENZENE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2021-06-09 EP disclosed
WO-2020027150-A1 BENZENE DERIVATIVE 小野薬品工業株式会社 2020-02-06 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 (3 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-11261154-B2 Benzene derivative PMP22, TMBIM6, MYT1 FABP1 2477/4885HTR6 3842/4885FABP4 882/4885
US-20210332009-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 FABP1 2477/4885HTR6 3842/4885FABP4 882/4885
US-20220089532-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 FABP1 2477/4885HTR6 3842/4885FABP4 882/4885

“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.