SCHEMBL17531778

SCHEMBL17531778

C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.43
▸ LTA4H P09960 1/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MMP3 P08254 4/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ CTRB1 P17538 3/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ REN P00797 1/20 0.34
▸ ADCY6 O43306 1/20 0.34
▸ ADCY3 O60266 1/20 0.34
▸ ADCY9 O60503 1/20 0.34
▸ ADCY5 O95622 1/20 0.34
▸ ADCY8 P40145 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ ADCY7 P51828 1/20 0.34

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
SCHEMBL22070158 0.96 TAAR1 (0.46) TAAR1LTA4HRAB9ASMN1; SMN2MMP3
SCHEMBL19375787 0.90 LTA4H (0.44) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL24797599 0.87 REN (0.46) RENKMT2A
SCHEMBL25854493 0.87 REN (0.46) RENKMT2A
SCHEMBL17531777 0.86 MEN1 (0.44) MMP3RENKMT2A
SCHEMBL29449848 0.86 CTRB1 (0.39) TAAR1LTA4HMMP2CTRB1
SCHEMBL17531811 0.84 NAMPT (0.39) NPC1RAB9ASMN1; SMN2MMP3REN
SCHEMBL19037005 0.83 TAAR1 (0.35) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL30302156 0.81 MDM4 (0.39) —
SCHEMBL19318327 0.81 TAAR1 (0.43) TAAR1LTA4HNPC1RAB9ASMN1; SMN2

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-10682371-B2 Small molecule conjugates specifically activated in tumor microenvironment for targeting and use thereof YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2020-06-16 — — US disclosed
US-10682371-B2 Small molecule conjugates specifically activated in tumor microenvironment for targeting and use thereof YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2020-06-16 — — US disclosed
US-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2017-09-21 — — US disclosed
US-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2017-09-21 — — US disclosed
US-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2017-09-21 — — US disclosed
EP-3184540-A1 SPECIFICALLY ACTIVATED MICROMOLECULAR TARGET COUPLING BODY IN TUMOR MICROENVIRONMENT AND USE THEREOF Yafei Shanghai Biolog Medicine Science& Technology (CN) 2017-06-28 — — EP disclosed
EP-3184540-A1 SPECIFICALLY ACTIVATED MICROMOLECULAR TARGET COUPLING BODY IN TUMOR MICROENVIRONMENT AND USE THEREOF Yafei Shanghai Biolog Medicine Science& Technology (CN) 2017-06-28 — — EP disclosed
WO-2016026458-A1 SPECIFICALLY ACTIVATED MICROMOLECULAR TARGET COUPLING BODY IN TUMOR MICROENVIRONMENT AND USE THEREOF 亚飞(上海)生物医药科技有限公司 2016-02-25 — — 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-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF CD4, MET, TNFSF10 TAAR1 3225/4885LTA4H 733/4885NPC1 3985/4885
US-10682371-B2 Small molecule conjugates specifically activated in tumor microenvironment for targeting and use thereof MET, ARG1, CD4 TAAR1 3812/4885LTA4H 486/4885NPC1 4472/4885

“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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